E918-0398 Screening compound: N6-(2,4-dimethylphenyl)-7-(4-ethoxy-3-methoxyphenyl)-5-methyl-N3-(4-methylphenyl)-4H,7H-pyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide

E918-0398 Screening compound: N6-(2,4-dimethylphenyl)-7-(4-ethoxy-3-methoxyphenyl)-5-methyl-N3-(4-methylphenyl)-4H,7H-pyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
E918-0398 Screening compound: N6-(2,4-dimethylphenyl)-7-(4-ethoxy-3-methoxyphenyl)-5-methyl-N3-(4-methylphenyl)-4H,7H-pyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E918-0398
N6-(2,4-dimethylphenyl)-7-(4-ethoxy-3-methoxyphenyl)-5-methyl-N3-(4-methylphenyl)-4H,7H-pyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

E918-0398

Molecular Formula

C33H35N5O4 (C33 H35 N5 O4)

Compound Name

N6-(2,4-dimethylphenyl)-7-(4-ethoxy-3-methoxyphenyl)-5-methyl-N3-(4-methylphenyl)-4H,7H-pyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide

IUPAC name

N6-(24-dimethylphenyl)-7-(4-ethoxy-3-methoxyphenyl)-5-methyl-N3-(4-methylphenyl)-4H7H-pyrazolo[15-a]pyrimidine-36-dicarboxamide

SMILES

CCOc(ccc(C1n2ncc(C(Nc3ccc(C)cc3)=O)c2NC(C)=C1C(Nc1c(C)cc(C)cc1)=O)c1)c1OC

InChI

InChI=1S/C33H35N5O4/c1-7-42-27-15-11-23(17-28(27)41-6)30-29(33(40)37-26-14-10-20(3)16-21(26)4)22(5)35-31-25(18-34-38(30)31)32(39)36-24-12-8-19(2)9-13-24/h8-18,30,35H,7H2,1-6H3,(H,36,39)(H,37,40)/t30-/m0/s1

InChI Key

SKQLEIOYOPXBDI-PMERELPUSA-N

MDL Number (MFCD)

MFCD14927804

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

565.67

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.827

Distribution Coefficient, logD

5.826

Water Solubility, LogSw

-5.27

Polar Surface Area

84.489

Acid Dissociation Constant (pKa)

10.02

Base Dissociation Constant (pKb)

4.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.20

E918-0398 in Drug Discovery

Included in Screening Libraries

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E918-0398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E918-0398?
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What is the minimum amount of E918-0398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E918-0398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E918-0398
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of E918-0398 available by request